Murcko scaffold
Ring system with 5 rings and 32 atoms
29 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 32
- Chemicals
- 29
- With full pages
- 3
Scaffold SMILES
O=C(Cn1c(=O)[nH]c2nc3n(c2c1=O)CCCN3c1ccccc1)OCc1ccccc1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
![Murcko scaffold O=C(Cn1c(=O)[nH]c2nc3n(c2c1=O)CCCN3c1ccccc1)OCc1ccccc1](/scaffold/OSBZQNFGOFEPSJ-UHFFFAOYSA-N/structure.svg)
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 29 of 29 chemicals
![Benzyl 2-[9-(3,4-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C27H29N5O4, CAS 844826-28-4](/s/PSQNPYPBMKCFHW-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(3,4-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 844826-28-4C27H29N5O4
![Benzyl 2-[9-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C26H27N5O4, CAS 844660-02-2](/s/HEUIBKYYPVPDKH-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 844660-02-2C26H27N5O4
![Benzyl 2-[1-methyl-9-(3-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C25H25N5O4, CAS 844834-78-2](/s/RJAZQRUHTHFPOW-UHFFFAOYSA-N.svg)
Benzyl 2-[1-methyl-9-(3-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 844834-78-2C25H25N5O4
![Benzyl 2-[1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C26H27N5O4, CAS 847036-68-4](/s/YZKYVGFCFQWCDA-UHFFFAOYSA-N.svg)
Benzyl 2-[1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 847036-68-4C26H27N5O4
![Benzyl 2-[9-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C26H27N5O4, CAS 848205-63-0](/s/MGOBSGMCSCNSMS-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 848205-63-0C26H27N5O4
![Benzyl 2-[9-(4-methoxyphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C25H25N5O5, CAS 846594-11-4](/s/PMCRNKSRHROSNO-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(4-methoxyphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 846594-11-4C25H25N5O5
![Benzyl 2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate chemical structure, C25H25N5O4, CAS 844465-78-7](/s/BZOLMQSFDQXCNI-UHFFFAOYSA-N.svg)
Benzyl 2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
CAS 844465-78-7C25H25N5O4
![Benzyl 2-[9-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C25H24ClN5O4, CAS 850803-08-6](/s/HDQFQLAMFINAJS-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 850803-08-6C25H24ClN5O4
![Benzyl 2-[9-(3-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C26H27N5O5, CAS 847176-94-7](/s/IBWPATRJADTOKS-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(3-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 847176-94-7C26H27N5O5
![Benzyl 2-[9-(3,5-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C27H29N5O4, CAS 844854-59-7](/s/SFOIOKBFPZHAJJ-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(3,5-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 844854-59-7C27H29N5O4
![Benzyl 2-(1-methyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate chemical structure, C24H23N5O4, CAS 844661-74-1](/s/RUKLKXSYRKSZJL-UHFFFAOYSA-N.svg)
Benzyl 2-(1-methyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate
CAS 844661-74-1C24H23N5O4
![Benzyl 2-[9-(4-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C26H27N5O5, CAS 844835-87-6](/s/NPJDRHWXNQVMAR-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(4-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 844835-87-6C26H27N5O5
![Benzyl 2-[9-(4-ethylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C26H27N5O4, CAS 844832-66-2](/s/CFFGIONDSIUGHZ-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(4-ethylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 844832-66-2C26H27N5O4
![Benzyl 2-[1,7-dimethyl-9-(4-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C26H27N5O4, CAS 844825-36-1](/s/ZQWWEZHVXSDMQM-UHFFFAOYSA-N.svg)
Benzyl 2-[1,7-dimethyl-9-(4-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 844825-36-1C26H27N5O4
![Benzyl 2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C27H29N5O4, CAS 844834-04-4](/s/YVIIGOUQUJYABZ-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 844834-04-4C27H29N5O4
![Benzyl 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate chemical structure, C25H25N5O4, CAS 848682-96-2](/s/MHMKNQLGMYDYGQ-UHFFFAOYSA-N.svg)
Benzyl 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate
CAS 848682-96-2C25H25N5O4
![Benzyl 2-[9-(3-methoxyphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C25H25N5O5, CAS 846590-74-7](/s/LJMCHXQJYKDDGQ-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(3-methoxyphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 846590-74-7C25H25N5O5
![Benzyl 2-[9-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C25H24ClN5O4, CAS 877617-26-0](/s/KLNMHQQMRFBYOR-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 877617-26-0C25H24ClN5O4
![Benzyl 2-[1,7-dimethyl-9-(2-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C26H27N5O4, CAS 877618-12-7](/s/VDMYDKGQAGXBOJ-UHFFFAOYSA-N.svg)
Benzyl 2-[1,7-dimethyl-9-(2-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 877618-12-7C26H27N5O4
![Benzyl 2-[1-methyl-9-(2-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C25H25N5O4, CAS 877617-22-6](/s/AWPBTVIJDKKUFX-UHFFFAOYSA-N.svg)
Benzyl 2-[1-methyl-9-(2-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 877617-22-6C25H25N5O4
![Benzyl 2-[9-(3-chlorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C24H22ClN5O4, CAS 877616-75-6](/s/QAEJUHIQLSDCLJ-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(3-chlorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 877616-75-6C24H22ClN5O4
![Benzyl 2-[9-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C25H24ClN5O4, CAS 877616-87-0](/s/VQAMRBCPIHYHAZ-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 877616-87-0C25H24ClN5O4
![Benzyl 2-[9-(2,4-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate chemical structure, C26H27N5O4, CAS 923399-74-0](/s/ZEMRVVZUSXJZKB-UHFFFAOYSA-N.svg)
Benzyl 2-[9-(2,4-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
CAS 923399-74-0C26H27N5O4
![Benzyl 2-(9-(5-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate chemical structure, C25H24ClN5O4, CAS 887458-66-4](/s/IUBFWKGPBXLQMH-UHFFFAOYSA-N.svg)
Benzyl 2-(9-(5-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate
CAS 887458-66-4C25H24ClN5O4
- Benzyl 2-(9-(2-methoxyphenyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate877616-61-0C25H25N5O5
- Benzyl 2-[9-(2,3-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate923481-70-3C26H27N5O4
- Benzyl 2-(9-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate877617-53-3C26H27N5O5
- Benzyl 2-[9-(4-chlorophenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate873076-81-4C24H22ClN5O4
- Benzyl 2-[9-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate846597-32-8C26H27N5O5
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(Cn1c(=O)[nH]c2nc3n(c2c1=O)CCCN3C1CCCCC1)OCc1ccccc1](/scaffold/PVHRGOIACRCAHU-UHFFFAOYSA-N/structure.svg)